F0520-0455
TL;DR: F0520-0455 (CAS 393849-69-9) is a chemical compound with molecular formula C25H28N6O8S2 and molecular weight 604.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-[[2-[[4-methyl-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate
Also Known As: F0520-0455, diethyl 3-methyl-5-[[2-[[4-methyl-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-({[(4-methyl-5-{[(4-methyl-3-nitrobenzoyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)thiophene-2,4-dicarboxylate, 2,4-DIETHYL 3-METHYL-5-{2-[(4-METHYL-5-{[(4-METHYL-3-NITROPHENYL)FORMAMIDO]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDO}THIOPHENE-2,4-DICARBOXYLATE, diethyl 3-methyl-5-(2-((4-methyl-5-((4-methyl-3-nitrobenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate
| Molecular Formula | C25H28N6O8S2 |
|---|---|
| Molecular Weight | 604.14 g/mol |
| LogP | 3.41584 |
| Topological Polar Surface Area | 184.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 604.141 |
| Heavy Atoms | 41 |
| Complexity | 1499.2378 |
Chemical Identifiers
| CAS Number | 393849-69-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-] |
Product Overview
F0520-0455 (CAS 393849-69-9), with molecular formula C25H28N6O8S2 and molecular weight 604.14 g/mol. IUPAC: diethyl 3-methyl-5-[[2-[[4-methyl-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of F0520-0455
Property Insights of F0520-0455
The XLogP value of 3.41584 indicates that F0520-0455 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 184.65 Ų indicates high polarity, suggesting F0520-0455 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0520-0455 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0520-0455?
The CAS number of F0520-0455 is 393849-69-9.
What is the molecular formula of F0520-0455?
The molecular formula of F0520-0455 is C25H28N6O8S2.
What is the molecular weight of F0520-0455?
The molecular weight of F0520-0455 is 604.14 g/mol.
Where can I buy F0520-0455?
You can request a quote for F0520-0455 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0520-0455?
Yes, KEHONG BIO provides custom synthesis services for F0520-0455 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.